3-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[5-(1-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[5-[1-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]propanoic acid IUPAC Name: 3-[5-(1-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]propanoic acid Traditional Name: 3-[5-(1-adamantyloxycarbonyl)-1,3-diketo-isoindolin-2-yl]propionic acid Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCC(=O)O

InChI

InChI=1S/C22H23NO6/c24-18(25)3-4-23-19(26)16-2-1-15(8-17(16)20(23)27)21(28)29-22-9-12-5-13(10-22)7-14(6-12)11-22/h1-2,8,12-14H,3-7,9-11H2,(H,24,25)